N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-methyl-3-nitro-benzamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-13-2-3-16(11-19(13)24(27)28)20(25)22-18-7-6-14-8-9-23(12-17(14)10-18)21(26)15-4-5-15/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3,(H,22,25)